1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, methyl ester supplier

Name
METHYL 1H-PYRROLO[3,2-C]PYRIDINE-4-CARBOXYLATE
EINECS
CAS No. 1040682-92-5
Density 1.324 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 383.1 °C at 760 mmHg
Molecular Weight 176.175
Flash Point 185.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl 1H-pyrrolo[3,2-c]pyridine-4-carboxylate;
PSA 54.98000
LogP 1.34950

1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, methyl ester Specification

The 1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, methyl ester has the CAS registry number 1040682-92-5. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 176.17. What's more, its systematic name is methyl 1H-pyrrolo[3,2-c]pyridine-4-carboxylate.

Physical properties of 1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, methyl ester are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.42; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 54.98 Å²; (9)Index of Refraction: 1.648; (10)Molar Refractivity: 48.39 cm³; (11)Molar Volume: 132.9 cm³; (12)Polarizability: 19.18×10^-24cm³; (13)Surface Tension: 59.7 dyne/cm; (14)Density: 1.324 g/cm³; (15)Flash Point: 185.5 °C; (16)Enthalpy of Vaporization: 63.16 kJ/mol; (17)Boiling Point: 383.1 °C at 760 mmHg; (18)Vapour Pressure: 4.5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2nccc1nccc12
(2)InChI: InChI=1S/C9H8N2O2/c1-13-9(12)8-6-2-4-10-7(6)3-5-11-8/h2-5,10H,1H3
(3)InChIKey: VLFGZDBQUVCFJQ-UHFFFAOYSA-N

Product Name

METHYL 1H-PYRROLO[3,2-C]PYRIDINE-4-CARBOXYLATE

1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, methyl ester Specification

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